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    Novobiocin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,131Xls

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    2D Structure
    Also known as: Albamycin, Sodium novobiocin, Cathomycin, Albadry, Novobiocin, monosodium salt, Novobiocin monosodium salt
    Molecular Formula
    C31H35N2NaO11
    Molecular Weight
    634.6  g/mol
    InChI Key
    WWPRGAYLRGSOSU-RNROJPEYSA-M
    FDA UNII
    Q9S9NQ5YIY
    An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;7-[(2R,3R,4S,5R)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate
    2.1.2 InChI
    InChI=1S/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1
    2.1.3 InChI Key
    WWPRGAYLRGSOSU-RNROJPEYSA-M
    2.1.4 Canonical SMILES
    CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Na+]
    2.1.5 Isomeric SMILES
    CC1=C(C=CC2=C1OC(=O)C(=C2[O-])NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    Q9S9NQ5YIY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Calcium, Novobiocin

    2. Crystallinic Acid

    3. Monosodium Salt Novobiocin

    4. Novobiocin

    5. Novobiocin Calcium

    6. Novobiocin, Monosodium Salt

    7. Sodium, Novobiocin

    8. Streptonivicin

    2.3.2 Depositor-Supplied Synonyms

    1. Albamycin

    2. Sodium Novobiocin

    3. Cathomycin

    4. Albadry

    5. Novobiocin, Monosodium Salt

    6. Novobiocin Monosodium Salt

    7. Q9s9nq5yiy

    8. 1476-53-5

    9. Cathomycin Sodium

    10. Chebi:31924

    11. Nsc-2382

    12. Vulcamycin

    13. Drygard/biodry

    14. Sodium Albamycin

    15. Dsstox_cid_3386

    16. Monosodium Novobiocin

    17. Novobiocin Monosodium

    18. Dsstox_rid_77008

    19. Dsstox_gsid_23386

    20. Cardelmycin Sodium Salt

    21. Pa 93 Na Salt

    22. Streptonivicin Sodium Salt

    23. Inabiocin

    24. Novobiocin, Sodium Deriv.

    25. Albamycinsodium

    26. Novobiocin Natrium

    27. Albamycin Capsules

    28. Novobiocina Bomaca

    29. Component Of Albamycin Capsules

    30. Albamycin (capsule)

    31. Antibiotic From Streptomyces Spheroides

    32. Novobiocin Sodium [usp]

    33. Unii-q9s9nq5yiy

    34. Novobiocin Sodium Salt (van)

    35. U 6591

    36. U-6591

    37. Albamycin (tn)

    38. Nsc 2382

    39. Einecs 216-023-6

    40. S2492_selleck

    41. Ncgc00017033-01

    42. Cas-1476-53-5

    43. Novobiocin Sodium (jan/usp)

    44. Spectrum1500444

    45. Novobiocin Sodium [jan]

    46. Chembl3183453

    47. Dtxsid9023386

    48. Hms500m22

    49. Novobiocin Sodium [vandf]

    50. Novobiocin Sodium [mart.]

    51. Hms1920d04

    52. Hms2091l04

    53. Novobiocin Sodium [who-dd]

    54. Tox21_110747

    55. Ccg-40336

    56. Akos030503807

    57. Novobiocin Sodium [green Book]

    58. Tox21_110747_1

    59. Novobiocin Sodium [usp Impurity]

    60. Ncgc00178810-03

    61. Novobiocin Sodium [usp Monograph]

    62. Novobiocin Sodium, Albamycin, Cathomycin

    63. D01209

    64. N-9100

    65. Novobiocin Sodium, Meets Usp Testing Specifications

    66. Q27114724

    67. Novobiocin Sodium Salt, Antibiotic For Culture Media Use Only

    68. 7-(4-(carbamoyloxy)tetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamido)-8-methylcoumarin Monosodium Salt

    69. 7-[(2r,3r,4s,5r)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-tetrahydropyran-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxo-chromen-4-olate

    70. Benzamide, N-(7-((3-o-(aminocarbonyl)-6-deoxy-5-c-methyl-4-o-methyl-.alpha.-l-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2h-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)-, Sodium Salt (1:1)

    71. Benzamide, N-(7-((3-o-(aminocarbonyl)-6-deoxy-5-c-methyl-4-o-methyl-.beta.-l-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2h-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl-, Monosodium Salt

    72. Benzamide, N-(7-((3-o-(aminocarbonyl)-6-deoxy-5-c-methyl-4-o-methyl-beta-l-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2h-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-, Monosodium Salt

    73. Benzamide, N-(7-((3-o-(aminocarbonyl)-6-deoxy-5-c-methyl-4-o-methyl-beta-l-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2h-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl-, Monosodium Salt

    74. Sodium 7-(((2r,3r,4s,5r)-4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2h-pyran-2-yl)oxy)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2h-chromen-4-olate

    75. Sodium;7-[(2r,3r,4s,5r)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-4-olate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 634.6 g/mol
    Molecular Formula C31H35N2NaO11
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count9
    Exact Mass634.21385422 g/mol
    Monoisotopic Mass634.21385422 g/mol
    Topological Polar Surface Area199 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity1160
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Nucleic Acid Synthesis Inhibitors

    Compounds that inhibit cell production of DNA or RNA. (See all compounds classified as Nucleic Acid Synthesis Inhibitors.)